1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

C15H17ClN2O2S — CID 90598641

IUPAC1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCOC(CNC(=O)Nc1cccc(Cl)c1)c1ccc(C)s1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-14(21-10)13(20-2)9-17-15(19)18-12-5-3-4-11(16)8-12/h3-8,13H,9H2,1-2H3,(H2,17,18,19)
InChIKeyFCYDFTWDTYZSAS-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.22
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 90598641) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID90598641
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCOC(CNC(=O)Nc1cccc(Cl)c1)c1ccc(C)s1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-14(21-10)13(20-2)9-17-15(19)18-12-5-3-4-11(16)8-12/h3-8,13H,9H2,1-2H3,(H2,17,18,19)
InChIKeyFCYDFTWDTYZSAS-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
1-(3,4-dimethoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598650
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598388
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97417390
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (CID 90598641) is 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is COC(CNC(=O)Nc1cccc(Cl)c1)c1ccc(C)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is FCYDFTWDTYZSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-6-7-14(21-10)13(20-2)9-17-15(19)18-12-5-3-4-11(16)8-12/h3-8,13H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 324.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 90598641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).